CID 164176

8-chloro-4-(2-chlorophenoxy)quinoline

Structural Information

Molecular Formula
C15H9Cl2NO
SMILES
C1=CC=C(C(=C1)OC2=C3C=CC=C(C3=NC=C2)Cl)Cl
InChI
InChI=1S/C15H9Cl2NO/c16-11-5-1-2-7-14(11)19-13-8-9-18-15-10(13)4-3-6-12(15)17/h1-9H
InChIKey
PPBLHEIIFPJHNN-UHFFFAOYSA-N
Compound name
8-chloro-4-(2-chlorophenoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

289.00613 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.01341 159.4
[M+Na]+ 311.99535 170.9
[M-H]- 287.99885 165.1
[M+NH4]+ 307.03995 176.1
[M+K]+ 327.96929 163.7
[M+H-H2O]+ 272.00339 152.0
[M+HCOO]- 334.00433 172.3
[M+CH3COO]- 348.01998 171.8
[M+Na-2H]- 309.98080 166.6
[M]+ 289.00558 164.1
[M]- 289.00668 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe